2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C17H23F3N6O — CID 72945114

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1cc(NCC(F)(F)F)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H23F3N6O/c1-11-7-12(2)26(24-11)16-22-14(21-10-17(18,19)20)8-15(23-16)25-6-4-5-13(25)9-27-3/h7-8,13H,4-6,9-10H2,1-3H3,(H,21,22,23)/t13-/m1/s1
InChIKeyXNCPZNBFPUTRIL-CYBMUJFWSA-N
MW384.41 g/mol
LogP2.87
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 72945114) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID72945114
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCOC[C@H]1CCCN1c1cc(NCC(F)(F)F)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H23F3N6O/c1-11-7-12(2)26(24-11)16-22-14(21-10-17(18,19)20)8-15(23-16)25-6-4-5-13(25)9-27-3/h7-8,13H,4-6,9-10H2,1-3H3,(H,21,22,23)/t13-/m1/s1
InChIKeyXNCPZNBFPUTRIL-CYBMUJFWSA-N
XLogP2.87
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 72945114) is 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is COC[C@H]1CCCN1c1cc(NCC(F)(F)F)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is XNCPZNBFPUTRIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-11-7-12(2)26(24-11)16-22-14(21-10-17(18,19)20)8-15(23-16)25-6-4-5-13(25)9-27-3/h7-8,13H,4-6,9-10H2,1-3H3,(H,21,22,23)/t13-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 384.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 72945114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).